Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
TL;DR: Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride (CAS 22545-60-4) is a chemical compound with molecular formula C13H23ClN2S and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1-adamantylmethyl)-2-sulfanylethanimidamide;hydrochloride
Also Known As: Acetamidine, monohydrochloride, Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride, N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride, Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, monohydrochloride, Ethanimidamide,7]dec-1-ylmethyl)-, monohydrochloride
| Molecular Formula | C13H23ClN2S |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.12704 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 22545-60-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CN=C(CS)N.Cl |
| InChIKey | JAUBBHIDNRDRIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride (CAS 22545-60-4), with molecular formula C13H23ClN2S and molecular weight 274.13 g/mol. IUPAC: N'-(1-adamantylmethyl)-2-sulfanylethanimidamide;hydrochloride.
Chemical Property Profile of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
Property Insights of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
The XLogP value of 2.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride. With a topological polar surface area (TPSA) of 39.4 Ų, Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride?
The CAS number of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride is 22545-60-4.
What is the molecular formula of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride?
The molecular formula of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride is C13H23ClN2S.
What is the molecular weight of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride?
The molecular weight of Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride is 274.13 g/mol.
Where can I buy Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride?
You can request a quote for Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.